2-Bromo-4-(trifluoromethyl)phenylboronic acid

• CAS: 959997-88-7
• Catalog Number: ACM959997887-1
• Category: Boronic Acids

Custom Q&A

What is the IUPAC name of the compound?

[2-bromo-4-(trifluoromethyl)phenyl]boronic acid.

What is the molecular formula of the compound?

C7H5BBrF3O2.

What is the molecular weight of the compound?

268.83 g/mol.

When was the compound created?

The compound was created on March 14, 2010.

When was the compound last modified?

The compound was last modified on December 2, 2023.

What is the InChI of the compound?

InChI=1S/C7H5BBrF3O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H.

What is the InChIKey of the compound?

WMKPVTIMXOLNHA-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

B(C1=C(C=C(C=C1)C(F)(F)F)Br)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 959997-88-7.

What is the hydrogen bond donor count of the compound?

The compound has 2 hydrogen bond donors.

Synthetic Use

Upstream Synthesis Route 1

• 150-46-9
• 481075-58-5

• 959997-88-7

Reference: [1]Organic Letters,2014,vol. 16,p. 2338 - 2341

Downstream Synthesis Route 1

• 76-09-5
• 959997-88-7

• 1595078-04-8

Reference: [1]Garcia-Lopez, Jose-Antonio; Greaney, Michael F.
[Organic Letters, 2014, vol. 16, # 9, p. 2338 - 2341]

Downstream Synthesis Route 2

• 959997-88-7

• 1260178-59-3
• 1595077-69-2

Reference: [1]Garcia-Lopez, Jose-Antonio; Greaney, Michael F.
[Organic Letters, 2014, vol. 16, # 9, p. 2338 - 2341]

* For details of the synthesis route, please refer to the original source to ensure accuracy.